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	hartrees
Energy at 0K	-76.136428
Energy at 298.15K	-76.137525
HF Energy	-76.009852
Nuclear repulsion energy	9.010782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3720	3437	0.96
2	A₁	1653	1527	99.46
3	B₂	3891	3595	17.57

Atom	y (Å)	z (Å)
O1	0.000	0.111
H2	0.802	-0.444
H3	-0.802	-0.444

	O1	H2	H3
O1		0.9754	0.9754
H2	0.9754		1.6035
H3	0.9754	1.6035

All results from a given calculation for H₂O (Water)

using model chemistry: CID/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2O (Water)

using model chemistry: CID/SDD

States and conformations

All results from a given calculation for H₂O (Water)